CID 170912925

(3r)-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C6H12N6
SMILES
CN1C(=NN=N1)N2CC[C@H](C2)N
InChI
InChI=1S/C6H12N6/c1-11-6(8-9-10-11)12-3-2-5(7)4-12/h5H,2-4,7H2,1H3/t5-/m1/s1
InChIKey
VLOKNAYEXFUYIN-RXMQYKEDSA-N
Compound name
(3R)-1-(1-methyltetrazol-5-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11235 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.119626 136.2
[M+Na]+ 191.101568 145.1
[M-H]- 167.105074 136.5
[M+NH4]+ 186.146173 153.0
[M+K]+ 207.075508 143.4
[M+H-H2O]+ 151.109610 126.4
[M+HCOO]- 213.110551 155.7
[M+CH3COO]- 227.126201 148.3
[M+Na-2H]- 189.087016 138.7
[M]+ 168.11180142 133.0
[M]- 168.11289858 133.0
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.