CID 126606082

2580231-73-6

Structural Information

Molecular Formula
C5H12N2
SMILES
CC1(CC(C1)N)N
InChI
InChI=1S/C5H12N2/c1-5(7)2-4(6)3-5/h4H,2-3,6-7H2,1H3
InChIKey
SBBAGNHPQWRXMJ-UHFFFAOYSA-N
Compound name
1-methylcyclobutane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

100.10005 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.107326 122.9
[M+Na]+ 123.089268 128.7
[M-H]- 99.092774 126.0
[M+NH4]+ 118.133873 140.6
[M+K]+ 139.063208 131.0
[M+H-H2O]+ 83.097310 113.6
[M+HCOO]- 145.098251 145.8
[M+CH3COO]- 159.113901 174.7
[M+Na-2H]- 121.074716 128.5
[M]+ 100.09950142 126.6
[M]- 100.10059858 126.6
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