CID 97134361

1439908-04-9

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NCC12CCC(N1)CC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)13-8-12-6-4-9(14-12)5-7-12/h9,14H,4-8H2,1-3H3,(H,13,15)
InChIKey
GZEKNMTVWUYRAN-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-azabicyclo[2.2.1]heptan-1-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 157.1
[M+Na]+ 249.15734 161.8
[M-H]- 225.16084 156.6
[M+NH4]+ 244.20194 179.9
[M+K]+ 265.13128 160.0
[M+H-H2O]+ 209.16538 152.6
[M+HCOO]- 271.16632 173.6
[M+CH3COO]- 285.18197 187.3
[M+Na-2H]- 247.14279 161.0
[M]+ 226.16757 155.0
[M]- 226.16867 155.0
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.