CID 20667286

1-[4-(aminomethyl)phenyl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H14N2
SMILES
CC(C1=CC=C(C=C1)CN)N
InChI
InChI=1S/C9H14N2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7H,6,10-11H2,1H3
InChIKey
MEHDHRUTQHJLFN-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

150.11569 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 133.2
[M+Na]+ 173.104908 139.6
[M-H]- 149.108414 136.0
[M+NH4]+ 168.149513 153.5
[M+K]+ 189.078848 137.4
[M+H-H2O]+ 133.112950 127.2
[M+HCOO]- 195.113891 157.5
[M+CH3COO]- 209.129541 181.7
[M+Na-2H]- 171.090356 137.8
[M]+ 150.11514142 129.3
[M]- 150.11623858 129.3
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