CID 155858995

2580100-13-4

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CC1(C2=CC=CC=C2)[C@@H](CO)N
InChI
InChI=1S/C11H15NO/c12-10(8-13)11(6-7-11)9-4-2-1-3-5-9/h1-5,10,13H,6-8,12H2/t10-/m1/s1
InChIKey
MTYWQWAOBHCMTB-SNVBAGLBSA-N
Compound name
(2S)-2-amino-2-(1-phenylcyclopropyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.7
[M+Na]+ 200.10459 143.6
[M-H]- 176.10809 141.7
[M+NH4]+ 195.14919 151.7
[M+K]+ 216.07853 140.9
[M+H-H2O]+ 160.11263 130.4
[M+HCOO]- 222.11357 158.3
[M+CH3COO]- 236.12922 183.2
[M+Na-2H]- 198.09004 142.4
[M]+ 177.11482 135.4
[M]- 177.11592 135.4
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.