CID 60810840

1184507-29-6

Structural Information

Molecular Formula
C11H18N4
SMILES
C1CC2=NN=C(N2C1)C3CCC(CC3)N
InChI
InChI=1S/C11H18N4/c12-9-5-3-8(4-6-9)11-14-13-10-2-1-7-15(10)11/h8-9H,1-7,12H2
InChIKey
PQESWMRMEFARLK-UHFFFAOYSA-N
Compound name
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.15315 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16043 147.3
[M+Na]+ 229.14237 153.4
[M-H]- 205.14587 150.0
[M+NH4]+ 224.18697 166.1
[M+K]+ 245.11631 150.2
[M+H-H2O]+ 189.15041 138.4
[M+HCOO]- 251.15135 164.9
[M+CH3COO]- 265.16700 158.4
[M+Na-2H]- 227.12782 148.3
[M]+ 206.15260 140.8
[M]- 206.15370 140.8
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

No patent data available for this compound.