CID 123670245

2157726-44-6

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CC1CCCCN

InChI

InChI=1S/C8H17N/c1-7-6-8(7)4-2-3-5-9/h7-8H,2-6,9H2,1H3

InChIKey

YEBRZXZMOCCDMT-UHFFFAOYSA-N

Compound name

4-(2-methylcyclopropyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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]+	128.14338	127.5
[M+Na]+	150.12532	136.0
[M-H]-	126.12882	131.8
[M+NH4]+	145.16992	144.8
[M+K]+	166.09926	133.6
[M+H-H2O]+	110.13336	121.8
[M+HCOO]-	172.13430	151.5
[M+CH3COO]-	186.14995	180.3
[M+Na-2H]-	148.11077	133.0
[M]+	127.13555	129.4
[M]-	127.13665	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe