CID 45092767

(1-methylpiperazin-2-yl)methanamine

Structural Information

Molecular Formula
C6H15N3
SMILES
CN1CCNCC1CN
InChI
InChI=1S/C6H15N3/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-5,7H2,1H3
InChIKey
QVRTZAUDSGLLQY-UHFFFAOYSA-N
Compound name
(1-methylpiperazin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

129.1266 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.13388 130.5
[M+Na]+ 152.11582 135.8
[M-H]- 128.11932 128.8
[M+NH4]+ 147.16042 148.7
[M+K]+ 168.08976 133.8
[M+H-H2O]+ 112.12386 123.6
[M+HCOO]- 174.12480 147.9
[M+CH3COO]- 188.14045 171.4
[M+Na-2H]- 150.10127 135.3
[M]+ 129.12605 122.8
[M]- 129.12715 122.8
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