CID 12285056

4-[(butylamino)methyl]phenol hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
CCCCNCC1=CC=C(C=C1)O
InChI
InChI=1S/C11H17NO/c1-2-3-8-12-9-10-4-6-11(13)7-5-10/h4-7,12-13H,2-3,8-9H2,1H3
InChIKey
JFLBZGZQRGKIGA-UHFFFAOYSA-N
Compound name
4-(butylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

179.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.5
[M+Na]+ 202.120228 146.7
[M-H]- 178.123734 142.5
[M+NH4]+ 197.164833 159.8
[M+K]+ 218.094168 143.8
[M+H-H2O]+ 162.128270 134.5
[M+HCOO]- 224.129211 164.1
[M+CH3COO]- 238.144861 182.7
[M+Na-2H]- 200.105676 146.7
[M]+ 179.13046142 140.3
[M]- 179.13155858 140.3
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