CID 129629061

2-cyclopropyl-2-methylpropanal

Structural Information

Molecular Formula
C7H12O
SMILES
CC(C)(C=O)C1CC1
InChI
InChI=1S/C7H12O/c1-7(2,5-8)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
JPFVGZCDZALHHO-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 123.4
[M+Na]+ 135.078028 132.9
[M-H]- 111.081534 128.4
[M+NH4]+ 130.122633 141.6
[M+K]+ 151.051968 131.6
[M+H-H2O]+ 95.086070 118.5
[M+HCOO]- 157.087011 146.2
[M+CH3COO]- 171.102661 173.8
[M+Na-2H]- 133.063476 131.3
[M]+ 112.08826142 126.6
[M]- 112.08935858 126.6
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

patents stripe