CID 21580187

698353-43-4

Structural Information

Molecular Formula
C7H14N2
SMILES
C1[C@@H]2C[C@H]([C@H]1C[C@H]2N)N
InChI
InChI=1S/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2/t4-,5-,6-,7-/m1/s1
InChIKey
KVMMOSKKPJEDNG-DBRKOABJSA-N
Compound name
(1R,2R,4R,5R)-bicyclo[2.2.1]heptane-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.1157 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 125.9
[M+Na]+ 149.10492 132.8
[M-H]- 125.10842 128.0
[M+NH4]+ 144.14952 152.3
[M+K]+ 165.07886 130.8
[M+H-H2O]+ 109.11296 121.6
[M+HCOO]- 171.11390 148.6
[M+CH3COO]- 185.12955 176.2
[M+Na-2H]- 147.09037 129.1
[M]+ 126.11515 120.3
[M]- 126.11625 120.3
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.