CID 83681878

2-(1-aminocyclopropyl)phenol

Structural Information

Molecular Formula
C9H11NO
SMILES
C1CC1(C2=CC=CC=C2O)N
InChI
InChI=1S/C9H11NO/c10-9(5-6-9)7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2
InChIKey
WACCBGWJWDQUGW-UHFFFAOYSA-N
Compound name
2-(1-aminocyclopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

149.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 127.2
[M+Na]+ 172.07328 137.1
[M-H]- 148.07678 133.8
[M+NH4]+ 167.11788 144.6
[M+K]+ 188.04722 134.3
[M+H-H2O]+ 132.08132 122.3
[M+HCOO]- 194.08226 151.3
[M+CH3COO]- 208.09791 177.7
[M+Na-2H]- 170.05873 135.4
[M]+ 149.08351 127.2
[M]- 149.08461 127.2
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

patents stripe