CID 16740860

Tert-butyl n-[1-(aminomethyl)cycloheptyl]carbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCCCCC1)CN
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-13(10-14)8-6-4-5-7-9-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKey
RSFBSPVFWOQBJQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)cycloheptyl]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]+ 243.206706 155.3
[M+Na]+ 265.188648 156.0
[M-H]- 241.192154 158.2
[M+NH4]+ 260.233253 172.4
[M+K]+ 281.162588 159.7
[M+H-H2O]+ 225.196690 149.7
[M+HCOO]- 287.197631 173.0
[M+CH3COO]- 301.213281 196.6
[M+Na-2H]- 263.174096 158.6
[M]+ 242.19888142 148.0
[M]- 242.19997858 148.0
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.