CID 56604677

1343967-18-9

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1C(CO1)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C10H12ClNO/c11-10-4-2-1-3-8(10)5-12-9-6-13-7-9/h1-4,9,12H,5-7H2
InChIKey
MWKLFUTXXQJRKZ-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 133.8
[M+Na]+ 220.049968 140.3
[M-H]- 196.053474 140.6
[M+NH4]+ 215.094573 146.1
[M+K]+ 236.023908 140.7
[M+H-H2O]+ 180.058010 123.0
[M+HCOO]- 242.058951 152.3
[M+CH3COO]- 256.074601 187.4
[M+Na-2H]- 218.035416 141.6
[M]+ 197.06020142 143.6
[M]- 197.06129858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.