CID 12699160

206991-46-0

Structural Information

Molecular Formula
C4H10N2
SMILES
C1C[C@@H]([C@@H]1N)N
InChI
InChI=1S/C4H10N2/c5-3-1-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4+
InChIKey
VHCQWQAYVBRQQC-ZXZARUISSA-N
Compound name
(1S,2R)-cyclobutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

86.0844 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.091676 117.1
[M+Na]+ 109.07362 122.4
[M-H]- 85.077124 119.9
[M+NH4]+ 104.11822 133.3
[M+K]+ 125.04756 125.0
[M+H-H2O]+ 69.081660 106.5
[M+HCOO]- 131.08260 140.3
[M+CH3COO]- 145.09825 172.2
[M+Na-2H]- 107.05907 122.3
[M]+ 86.083851 120.1
[M]- 86.084949 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe