CID 11263481

Cyclohept-2-en-1-amine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCC(C=CC1)N

InChI

InChI=1S/C7H13N/c8-7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6,8H2

InChIKey

YSGNYFVGROSKQC-UHFFFAOYSA-N

Compound name

cyclohept-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.11208	118.5
[M+Na]+	134.09402	121.9
[M-H]-	110.09752	122.2
[M+NH4]+	129.13862	139.0
[M+K]+	150.06796	125.1
[M+H-H2O]+	94.102060	113.9
[M+HCOO]-	156.10300	140.3
[M+CH3COO]-	170.11865	172.6
[M+Na-2H]-	132.07947	124.9
[M]+	111.10425	110.2
[M]-	111.10535	110.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe