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

57
Patents

112.08881 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.4
[M+Na]+ 135.07803 130.2
[M-H]- 111.08153 123.2
[M+NH4]+ 130.12263 145.6
[M+K]+ 151.05197 130.0
[M+H-H2O]+ 95.086070 119.0
[M+HCOO]- 157.08701 144.1
[M+CH3COO]- 171.10266 170.8
[M+Na-2H]- 133.06348 128.7
[M]+ 112.08826 123.0
[M]- 112.08936 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