CID 97731

1-(benzylamino)propan-2-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(CNCC1=CC=CC=C1)O
InChI
InChI=1S/C10H15NO/c1-9(12)7-11-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
IVPPRWDCTCLFSP-UHFFFAOYSA-N
Compound name
1-(benzylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

165.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.9
[M+Na]+ 188.10459 142.2
[M-H]- 164.10809 138.8
[M+NH4]+ 183.14919 156.4
[M+K]+ 204.07853 140.1
[M+H-H2O]+ 148.11263 130.9
[M+HCOO]- 210.11357 159.8
[M+CH3COO]- 224.12922 179.4
[M+Na-2H]- 186.09004 143.0
[M]+ 165.11482 135.2
[M]- 165.11592 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe