CID 13237355

175722-13-1

Structural Information

Molecular Formula
C7H13N
SMILES
C1CC=CC(C1)CN
InChI
InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6,8H2
InChIKey
HUESUARLBCVSFD-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 122.8
[M+Na]+ 134.09402 128.1
[M-H]- 110.09752 125.4
[M+NH4]+ 129.13862 144.9
[M+K]+ 150.06796 126.8
[M+H-H2O]+ 94.102060 117.4
[M+HCOO]- 156.10300 145.5
[M+CH3COO]- 170.11865 170.1
[M+Na-2H]- 132.07947 129.4
[M]+ 111.10425 117.3
[M]- 111.10535 117.3
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