CID 10909525

3,3-dimethyl-2-methylidenebutanal

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

112.08881 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 122.4
[M+Na]+ 135.078028 130.2
[M-H]- 111.081534 123.2
[M+NH4]+ 130.122633 145.6
[M+K]+ 151.051968 130.0
[M+H-H2O]+ 95.086070 119.0
[M+HCOO]- 157.087011 144.1
[M+CH3COO]- 171.102661 170.8
[M+Na-2H]- 133.063476 128.7
[M]+ 112.08826142 123.0
[M]- 112.08935858 123.0
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

patents stripe