CID 16767868

2-amino-1-(1-methyl-1h-pyrrol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H12N2O
SMILES
CN1C=CC=C1C(CN)O
InChI
InChI=1S/C7H12N2O/c1-9-4-2-3-6(9)7(10)5-8/h2-4,7,10H,5,8H2,1H3
InChIKey
YPEDCPNXDIGKFP-UHFFFAOYSA-N
Compound name
2-amino-1-(1-methylpyrrol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.6
[M+Na]+ 163.084178 137.1
[M-H]- 139.087684 130.4
[M+NH4]+ 158.128783 150.6
[M+K]+ 179.058118 135.5
[M+H-H2O]+ 123.092220 123.6
[M+HCOO]- 185.093161 152.4
[M+CH3COO]- 199.108811 173.5
[M+Na-2H]- 161.069626 133.4
[M]+ 140.09441142 127.5
[M]- 140.09550858 127.5
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

No patent data available for this compound.