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

5
Patents

100.10005 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 122.9
[M+Na]+ 123.08927 128.7
[M-H]- 99.092774 126.0
[M+NH4]+ 118.13387 140.6
[M+K]+ 139.06321 131.0
[M+H-H2O]+ 83.097310 113.6
[M+HCOO]- 145.09825 145.8
[M+CH3COO]- 159.11390 174.7
[M+Na-2H]- 121.07472 128.5
[M]+ 100.09950 126.6
[M]- 100.10060 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