CID 91825911

1630907-27-5

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC12CCC(C1)(CC2)N
InChI
InChI=1S/C12H22N2O2/c1-10(2,3)16-9(15)14-12-6-4-11(13,8-12)5-7-12/h4-8,13H2,1-3H3,(H,14,15)
InChIKey
PDJAMSVGNXBESR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.2
[M+Na]+ 249.15734 159.5
[M-H]- 225.16084 156.2
[M+NH4]+ 244.20194 180.4
[M+K]+ 265.13128 158.0
[M+H-H2O]+ 209.16538 151.1
[M+HCOO]- 271.16632 173.8
[M+CH3COO]- 285.18197 191.3
[M+Na-2H]- 247.14279 159.7
[M]+ 226.16757 152.1
[M]- 226.16867 152.1
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

patents stripe