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]+ 141.10224 129.6
[M+Na]+ 163.08418 137.1
[M-H]- 139.08768 130.4
[M+NH4]+ 158.12878 150.6
[M+K]+ 179.05812 135.5
[M+H-H2O]+ 123.09222 123.6
[M+HCOO]- 185.09316 152.4
[M+CH3COO]- 199.10881 173.5
[M+Na-2H]- 161.06963 133.4
[M]+ 140.09441 127.5
[M]- 140.09551 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.