CID 18975958

4-(aminomethyl)-n-butylbenzamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCCNC(=O)C1=CC=C(C=C1)CN
InChI
InChI=1S/C12H18N2O/c1-2-3-8-14-12(15)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9,13H2,1H3,(H,14,15)
InChIKey
LDAMZMRSSDWFNA-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.6
[M+Na]+ 229.13112 154.0
[M-H]- 205.13462 151.4
[M+NH4]+ 224.17572 166.8
[M+K]+ 245.10506 151.3
[M+H-H2O]+ 189.13916 141.8
[M+HCOO]- 251.14010 173.0
[M+CH3COO]- 265.15575 192.0
[M+Na-2H]- 227.11657 152.7
[M]+ 206.14135 147.5
[M]- 206.14245 147.5
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