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]+ 192.149516 145.1
[M+Na]+ 214.131458 150.7
[M-H]- 190.134964 146.7
[M+NH4]+ 209.176063 160.7
[M+K]+ 230.105398 146.4
[M+H-H2O]+ 174.139500 136.9
[M+HCOO]- 236.140441 162.5
[M+CH3COO]- 250.156091 155.7
[M+Na-2H]- 212.116906 149.3
[M]+ 191.14169142 137.1
[M]- 191.14278858 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