CID 61969

2-methylpent-3-enoic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
CC=CC(C)C(=O)O
InChI
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)
InChIKey
NFRJJFMXYKSRPK-UHFFFAOYSA-N
Compound name
2-methylpent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1166
Patents

114.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 123.1
[M+Na]+ 137.05730 130.2
[M-H]- 113.06080 122.3
[M+NH4]+ 132.10190 145.2
[M+K]+ 153.03124 129.7
[M+H-H2O]+ 97.065340 119.2
[M+HCOO]- 159.06628 144.4
[M+CH3COO]- 173.08193 167.6
[M+Na-2H]- 135.04275 127.3
[M]+ 114.06753 122.6
[M]- 114.06863 122.6
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