CID 128670

4-hydroxytranylcypromine

Structural Information

Molecular Formula
C9H11NO
SMILES
C1[C@H]([C@@H]1N)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H11NO/c10-9-5-8(9)6-1-3-7(11)4-2-6/h1-4,8-9,11H,5,10H2/t8-,9+/m0/s1
InChIKey
HADIWKXZWHXEDX-DTWKUNHWSA-N
Compound name
4-[(1S,2R)-2-aminocyclopropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

66
Patents

149.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 125.8
[M+Na]+ 172.07328 135.8
[M-H]- 148.07678 132.4
[M+NH4]+ 167.11788 141.6
[M+K]+ 188.04722 132.1
[M+H-H2O]+ 132.08132 120.1
[M+HCOO]- 194.08226 150.2
[M+CH3COO]- 208.09791 179.2
[M+Na-2H]- 170.05873 132.4
[M]+ 149.08351 125.8
[M]- 149.08461 125.8
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