CID 154577364

1998236-29-5

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC1(CCC(CC1)(CN)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C14H28N2O2/c1-12(2,3)18-11(17)16-14(10-15)8-6-13(4,5)7-9-14/h6-10,15H2,1-5H3,(H,16,17)
InChIKey
QTKVXSGSCFWWHO-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.222376 161.9
[M+Na]+ 279.204318 165.9
[M-H]- 255.207824 164.2
[M+NH4]+ 274.248923 182.2
[M+K]+ 295.178258 165.2
[M+H-H2O]+ 239.212360 157.9
[M+HCOO]- 301.213301 179.9
[M+CH3COO]- 315.228951 199.6
[M+Na-2H]- 277.189766 165.8
[M]+ 256.21455142 158.9
[M]- 256.21564858 158.9
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.