CID 13226135

2-aminocycloheptan-1-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CCC(C(=O)CC1)N
InChI
InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5,8H2
InChIKey
AGGSGTDKCCRCNB-UHFFFAOYSA-N
Compound name
2-aminocycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

27
Patents

127.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 121.9
[M+Na]+ 150.088938 125.3
[M-H]- 126.092444 125.6
[M+NH4]+ 145.133543 141.8
[M+K]+ 166.062878 128.8
[M+H-H2O]+ 110.096980 117.1
[M+HCOO]- 172.097921 142.6
[M+CH3COO]- 186.113571 175.0
[M+Na-2H]- 148.074386 126.5
[M]+ 127.09917142 113.2
[M]- 127.10026858 113.2
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