CID 45115819

329943-78-4

Structural Information

Molecular Formula
C11H17N3
SMILES
CC1=C(C=CC(=C1)N2CCNCC2)N
InChI
InChI=1S/C11H17N3/c1-9-8-10(2-3-11(9)12)14-6-4-13-5-7-14/h2-3,8,13H,4-7,12H2,1H3
InChIKey
VUMHPQIHGCPZBT-UHFFFAOYSA-N
Compound name
2-methyl-4-piperazin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.14224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 145.1
[M+Na]+ 214.13146 150.7
[M-H]- 190.13496 146.7
[M+NH4]+ 209.17606 160.7
[M+K]+ 230.10540 146.4
[M+H-H2O]+ 174.13950 136.9
[M+HCOO]- 236.14044 162.5
[M+CH3COO]- 250.15609 155.7
[M+Na-2H]- 212.11691 149.3
[M]+ 191.14169 137.1
[M]- 191.14279 137.1
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