CID 12446102

(trans)-cyclopropane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₃H₈N₂

SMILES

C1[C@H]([C@@H]1N)N

InChI

InChI=1S/C3H8N2/c4-2-1-3(2)5/h2-3H,1,4-5H2/t2-,3-/m1/s1

InChIKey

DQSBSLFFVASXRY-PWNYCUMCSA-N

Compound name

(1R,2R)-cyclopropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 72.06875 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	73.076026	108.8
[M+Na]+	95.057968	118.5
[M-H]-	71.061474	113.3
[M+NH4]+	90.102573	127.5
[M+K]+	111.03191	116.6
[M+H-H2O]+	55.066010	103.7
[M+HCOO]-	117.06695	134.7
[M+CH3COO]-	131.08260	169.8
[M+Na-2H]-	93.043416	116.0
[M]+	72.068201	107.2
[M]-	72.069299	107.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe