CID 12962871

1,2,2-trimethylcyclopropanecarbaldehyde

Structural Information

Molecular Formula
C7H12O
SMILES
CC1(CC1(C)C=O)C
InChI
InChI=1S/C7H12O/c1-6(2)4-7(6,3)5-8/h5H,4H2,1-3H3
InChIKey
OSHUPHCLTIQGFJ-UHFFFAOYSA-N
Compound name
1,2,2-trimethylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 122.3
[M+Na]+ 135.078028 133.5
[M-H]- 111.081534 128.1
[M+NH4]+ 130.122633 144.4
[M+K]+ 151.051968 133.6
[M+H-H2O]+ 95.086070 119.5
[M+HCOO]- 157.087011 145.7
[M+CH3COO]- 171.102661 174.0
[M+Na-2H]- 133.063476 131.0
[M]+ 112.08826142 127.1
[M]- 112.08935858 127.1
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