CID 104129

Carbamic acid, [[3-(aminomethyl)phenyl]methyl]-

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC(=CC(=C1)CNC(=O)O)CN
InChI
InChI=1S/C9H12N2O2/c10-5-7-2-1-3-8(4-7)6-11-9(12)13/h1-4,11H,5-6,10H2,(H,12,13)
InChIKey
HYKFCGUBCWWEBA-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)phenyl]methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

180.08987 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.1
[M+Na]+ 203.07909 144.3
[M-H]- 179.08259 140.1
[M+NH4]+ 198.12369 156.6
[M+K]+ 219.05303 142.0
[M+H-H2O]+ 163.08713 131.9
[M+HCOO]- 225.08807 162.2
[M+CH3COO]- 239.10372 182.6
[M+Na-2H]- 201.06454 143.3
[M]+ 180.08932 135.4
[M]- 180.09042 135.4
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