CID 51000357

1243250-00-1

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC(C)(C)CC1(CC1)N

InChI

InChI=1S/C8H17N/c1-7(2,3)6-8(9)4-5-8/h4-6,9H2,1-3H3

InChIKey

XTQGDVSTEZJTLK-UHFFFAOYSA-N

Compound name

1-(2,2-dimethylpropyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 127.1361 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]+	128.14338	128.2
[M+Na]+	150.12532	136.9
[M-H]-	126.12882	132.8
[M+NH4]+	145.16992	147.3
[M+K]+	166.09926	135.9
[M+H-H2O]+	110.13336	124.3
[M+HCOO]-	172.13430	150.4
[M+CH3COO]-	186.14995	178.5
[M+Na-2H]-	148.11077	135.9
[M]+	127.13555	129.6
[M]-	127.13665	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe