CID 5280533

2-isopropylmaleic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
CC(C)/C(=C/C(=O)O)/C(=O)O
InChI
InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3-
InChIKey
NJMGRJLQRLFQQX-HYXAFXHYSA-N
Compound name
(Z)-2-propan-2-ylbut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1310
Patents

158.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 132.5
[M+Na]+ 181.04712 138.5
[M-H]- 157.05062 130.2
[M+NH4]+ 176.09172 151.7
[M+K]+ 197.02106 138.2
[M+H-H2O]+ 141.05516 128.4
[M+HCOO]- 203.05610 150.6
[M+CH3COO]- 217.07175 173.2
[M+Na-2H]- 179.03257 133.1
[M]+ 158.05735 131.4
[M]- 158.05845 131.4
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