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]+ 192.138286 138.6
[M+Na]+ 214.120228 145.2
[M-H]- 190.123734 144.4
[M+NH4]+ 209.164833 152.2
[M+K]+ 230.094168 141.7
[M+H-H2O]+ 174.128270 131.8
[M+HCOO]- 236.129211 161.7
[M+CH3COO]- 250.144861 187.1
[M+Na-2H]- 212.105676 144.8
[M]+ 191.13046142 139.1
[M]- 191.13155858 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.