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: 15
Patents: 112.08881 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.096086	123.8
[M+Na]+	135.078028	132.9
[M-H]-	111.081534	128.5
[M+NH4]+	130.122633	141.9
[M+K]+	151.051968	131.3
[M+H-H2O]+	95.086070	118.2
[M+HCOO]-	157.087011	148.1
[M+CH3COO]-	171.102661	173.6
[M+Na-2H]-	133.063476	131.1
[M]+	112.08826142	127.4
[M]-	112.08935858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe