CID 7665

4-(butylamino)phenol

Structural Information

Molecular Formula
C10H15NO
SMILES
CCCCNC1=CC=C(C=C1)O
InChI
InChI=1S/C10H15NO/c1-2-3-8-11-9-4-6-10(12)7-5-9/h4-7,11-12H,2-3,8H2,1H3
InChIKey
VAMBUGIXOVLJEA-UHFFFAOYSA-N
Compound name
4-(butylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6804
Patents

165.11537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.9
[M+Na]+ 188.10459 142.5
[M-H]- 164.10809 138.1
[M+NH4]+ 183.14919 155.8
[M+K]+ 204.07853 139.9
[M+H-H2O]+ 148.11263 130.1
[M+HCOO]- 210.11357 159.9
[M+CH3COO]- 224.12922 179.7
[M+Na-2H]- 186.09004 142.7
[M]+ 165.11482 135.3
[M]- 165.11592 135.3
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