CID 22647291

4-cyclopropylbutanal

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC1CCCC=O
InChI
InChI=1S/C7H12O/c8-6-2-1-3-7-4-5-7/h6-7H,1-5H2
InChIKey
SVABGPAHHLRXFI-UHFFFAOYSA-N
Compound name
4-cyclopropylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.8
[M+Na]+ 135.07803 132.9
[M-H]- 111.08153 128.5
[M+NH4]+ 130.12263 141.9
[M+K]+ 151.05197 131.3
[M+H-H2O]+ 95.086070 118.2
[M+HCOO]- 157.08701 148.1
[M+CH3COO]- 171.10266 173.6
[M+Na-2H]- 133.06348 131.1
[M]+ 112.08826 127.4
[M]- 112.08936 127.4
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