CID 61271782

(4-chlorophenyl)(oxolan-3-yl)methanamine

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C1COCC1C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9,11H,5-7,13H2
InChIKey
BNJICPSSJZQIOE-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(oxolan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 147.7
[M+Na]+ 234.06561 154.1
[M-H]- 210.06911 154.0
[M+NH4]+ 229.11021 166.9
[M+K]+ 250.03955 151.0
[M+H-H2O]+ 194.07365 142.0
[M+HCOO]- 256.07459 165.0
[M+CH3COO]- 270.09024 185.5
[M+Na-2H]- 232.05106 150.5
[M]+ 211.07584 145.8
[M]- 211.07694 145.8
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.