CID 61310753

2-(benzylamino)-2-cyclopropylethan-1-ol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC1C(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c14-9-12(11-6-7-11)13-8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2
InChIKey
DZDKMEPDTJSHHN-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-cyclopropylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 138.6
[M+Na]+ 214.12023 145.2
[M-H]- 190.12373 144.4
[M+NH4]+ 209.16483 152.2
[M+K]+ 230.09417 141.7
[M+H-H2O]+ 174.12827 131.8
[M+HCOO]- 236.12921 161.7
[M+CH3COO]- 250.14486 187.1
[M+Na-2H]- 212.10568 144.8
[M]+ 191.13046 139.1
[M]- 191.13156 139.1
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.