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]+ 227.175396 157.1
[M+Na]+ 249.157338 161.8
[M-H]- 225.160844 156.6
[M+NH4]+ 244.201943 179.9
[M+K]+ 265.131278 160.0
[M+H-H2O]+ 209.165380 152.6
[M+HCOO]- 271.166321 173.6
[M+CH3COO]- 285.181971 187.3
[M+Na-2H]- 247.142786 161.0
[M]+ 226.16757142 155.0
[M]- 226.16866858 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.