CID 43090147

936023-14-2

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1=C(C=C(C=C1)CNC2CC2)C

InChI

InChI=1S/C12H17N/c1-9-3-4-11(7-10(9)2)8-13-12-5-6-12/h3-4,7,12-13H,5-6,8H2,1-2H3

InChIKey

JNPDTCFLSUFURZ-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethylphenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 175.1361 Da
Monoisotopic Mass: 2.6
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]+	176.143376	135.8
[M+Na]+	198.125318	144.9
[M-H]-	174.128824	143.7
[M+NH4]+	193.169923	151.5
[M+K]+	214.099258	141.5
[M+H-H2O]+	158.133360	129.3
[M+HCOO]-	220.134301	161.0
[M+CH3COO]-	234.149951	189.0
[M+Na-2H]-	196.110766	142.2
[M]+	175.13555142	138.0
[M]-	175.13664858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe