CID 84049697

2825004-96-2

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]+ 114.091336 121.9
[M+Na]+ 136.073278 129.1
[M-H]- 112.076784 123.9
[M+NH4]+ 131.117883 147.0
[M+K]+ 152.047218 127.6
[M+H-H2O]+ 96.081320 117.8
[M+HCOO]- 158.082261 145.8
[M+CH3COO]- 172.097911 165.8
[M+Na-2H]- 134.058726 128.4
[M]+ 113.08351142 118.0
[M]- 113.08460858 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.