CID 84049697

1-(aminomethyl)cyclopent-3-en-1-olhydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C=CCC1(CN)O
InChI
InChI=1S/C6H11NO/c7-5-6(8)3-1-2-4-6/h1-2,8H,3-5,7H2
InChIKey
UNBKMVINJUNEPS-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclopent-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.9
[M+Na]+ 136.07328 129.1
[M-H]- 112.07678 123.9
[M+NH4]+ 131.11788 147.0
[M+K]+ 152.04722 127.6
[M+H-H2O]+ 96.081320 117.8
[M+HCOO]- 158.08226 145.8
[M+CH3COO]- 172.09791 165.8
[M+Na-2H]- 134.05873 128.4
[M]+ 113.08351 118.0
[M]- 113.08461 118.0
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.