CID 84048263

1103205-41-9

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CCCCC1)CN
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-10-13(9-14)7-5-4-6-8-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKey
VTVJJFFEFVAHOH-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 160.0
[M+Na]+ 265.18865 162.4
[M-H]- 241.19215 161.7
[M+NH4]+ 260.23325 178.5
[M+K]+ 281.16259 161.5
[M+H-H2O]+ 225.19669 154.6
[M+HCOO]- 287.19763 178.4
[M+CH3COO]- 301.21328 195.7
[M+Na-2H]- 263.17410 163.5
[M]+ 242.19888 155.7
[M]- 242.19998 155.7
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.