CID 78194

Cycloheptanemethylamine

Structural Information

Molecular Formula
C8H17N
SMILES
C1CCCC(CC1)CN
InChI
InChI=1S/C8H17N/c9-7-8-5-3-1-2-4-6-8/h8H,1-7,9H2
InChIKey
CAOQEOHEZKVYOJ-UHFFFAOYSA-N
Compound name
cycloheptylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

127.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 126.1
[M+Na]+ 150.12532 134.0
[M+NH4]+ 145.16992 134.7
[M+K]+ 166.09926 129.6
[M-H]- 126.12882 128.7
[M+Na-2H]- 148.11077 131.7
[M]+ 127.13555 127.8
[M]- 127.13665 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe