CID 12433331

67997-54-0

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC1(C(C2=CC=CC=C2)O)N

InChI

InChI=1S/C10H13NO/c11-10(6-7-10)9(12)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2

InChIKey

GKCYNKHFSOBSCC-UHFFFAOYSA-N

Compound name

(1-aminocyclopropyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.09972 Da
Monoisotopic Mass: 0.5
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]+	164.10700	131.6
[M+Na]+	186.08894	139.8
[M-H]-	162.09244	137.7
[M+NH4]+	181.13354	148.0
[M+K]+	202.06288	137.4
[M+H-H2O]+	146.09698	126.4
[M+HCOO]-	208.09792	154.4
[M+CH3COO]-	222.11357	180.3
[M+Na-2H]-	184.07439	138.8
[M]+	163.09917	130.9
[M]-	163.10027	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe