CID 146082194

2408958-55-2

Structural Information

Molecular Formula
C15H28N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CC2CCCC2C1)CN
InChI
InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-15(9-16)7-11-5-4-6-12(11)8-15/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKey
LYOVEWMLDZLKNK-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.222376 167.5
[M+Na]+ 291.204318 171.0
[M-H]- 267.207824 170.4
[M+NH4]+ 286.248923 189.7
[M+K]+ 307.178258 169.0
[M+H-H2O]+ 251.212360 163.0
[M+HCOO]- 313.213301 186.4
[M+CH3COO]- 327.228951 200.5
[M+Na-2H]- 289.189766 168.6
[M]+ 268.21455142 164.5
[M]- 268.21564858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.