CID 66407752

(1-ethyl-1h-pyrrol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H12N2
SMILES
CCN1C=CC(=C1)CN
InChI
InChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3
InChIKey
VWYWRMVYZDEIPA-UHFFFAOYSA-N
Compound name
(1-ethylpyrrol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

124.10005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.2
[M+Na]+ 147.08927 133.4
[M-H]- 123.09277 127.2
[M+NH4]+ 142.13387 147.7
[M+K]+ 163.06321 131.8
[M+H-H2O]+ 107.09731 119.0
[M+HCOO]- 169.09825 150.2
[M+CH3COO]- 183.11390 173.3
[M+Na-2H]- 145.07472 130.7
[M]+ 124.09950 124.2
[M]- 124.10060 124.2
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