CID 533887

2-(aminomethyl)cyclopentan-1-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC(C(C1)O)CN
InChI
InChI=1S/C6H13NO/c7-4-5-2-1-3-6(5)8/h5-6,8H,1-4,7H2
InChIKey
VORALDSQPSWPRK-UHFFFAOYSA-N
Compound name
2-(aminomethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.2
[M+Na]+ 138.088938 130.3
[M-H]- 114.092444 125.7
[M+NH4]+ 133.133543 147.4
[M+K]+ 154.062878 128.9
[M+H-H2O]+ 98.096980 119.3
[M+HCOO]- 160.097921 146.6
[M+CH3COO]- 174.113571 167.7
[M+Na-2H]- 136.074386 127.8
[M]+ 115.09917142 118.9
[M]- 115.10026858 118.9
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